Information card for entry 2224654

Structure parameters

• Chemical name: 1-Methoxy-2-methyl-1<i>H</i>-benzo[<i>f</i>]indole-3-carbonitrile
• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: O(n1c2ccc3ccccc3c2c(c1C)C#N)C
• Title of publication: 1-Methoxy-2-methyl-1<i>H</i>-benzo[<i>f</i>]indole-3-carbonitrile
• Authors of publication: Li, Jiang-Sheng; He, Qi-Xi; Li, Peng-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o97
• a: 18.663 ± 0.004 Å
• b: 7.3763 ± 0.0015 Å
• c: 18.589 ± 0.004 Å
• α: 90°
• β: 113.46 ± 0.03°
• γ: 90°
• Cell volume: 2347.5 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes